[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate

C23H19NO5 — CID 141114966

IUPAC[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
SMILESO=C(Cc1ccc(COC(=O)c2cccnc2)cc1)OCC(=O)c1ccccc1
InChIInChI=1S/C23H19NO5/c25-21(19-5-2-1-3-6-19)16-28-22(26)13-17-8-10-18(11-9-17)15-29-23(27)20-7-4-12-24-14-20/h1-12,14H,13,15-16H2
InChIKeyWNGNGSCNXSYPJD-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.41
Rot. Bonds8

About [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate

[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate (PubChem CID 141114966) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
PubChem CID141114966
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
SMILESO=C(Cc1ccc(COC(=O)c2cccnc2)cc1)OCC(=O)c1ccccc1
InChIInChI=1S/C23H19NO5/c25-21(19-5-2-1-3-6-19)16-28-22(26)13-17-8-10-18(11-9-17)15-29-23(27)20-7-4-12-24-14-20/h1-12,14H,13,15-16H2
InChIKeyWNGNGSCNXSYPJD-UHFFFAOYSA-N
XLogP3.41
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
CID 162157539
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
benzyl pyridine-3-carboxylate;ethyl 4-aminobenzoate
CID 174833774
[2-oxo-2-(2-phenoxypyrimidin-5-yl)ethyl] pyridine-3-carboxylate
CID 59252455
benzyl pyridine-3-carboxylate;ethyl 2-aminobenzoate
CID 157354656
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
CID 51031907
CID 51031907

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate?
The IUPAC name of [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate (CID 141114966) is [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate?
The canonical SMILES for [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate is O=C(Cc1ccc(COC(=O)c2cccnc2)cc1)OCC(=O)c1ccccc1.
What is the InChIKey of [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate?
The InChIKey is WNGNGSCNXSYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c25-21(19-5-2-1-3-6-19)16-28-22(26)13-17-8-10-18(11-9-17)15-29-23(27)20-7-4-12-24-14-20/h1-12,14H,13,15-16H2.
What are the key properties of [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate?
[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 141114966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).